SCHEMBL2289138

SCHEMBL2289138

c1ccc(N(c2ccccn2)c2ccccn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8202219 0.97 CYP2D6 (0.48) CYP2D6CYP2C19KDM4ELMNACCR1
SCHEMBL2295791 0.87 CYP2D6 (0.45) CYP2D6CYP2C19KDM4ELMNACCR1
SCHEMBL5907885 0.85 CYP2D6 (0.44) CYP2D6CYP2C19KDM4ELMNACCR1
SCHEMBL9206817 0.85 CYP2D6 (0.44) CYP2D6CYP2C19KDM4ELMNACCR1
SCHEMBL229388 0.85 ALDH1A1 (0.45) CYP2D6CYP2C19KDM4ELMNACCR1
SCHEMBL4647647 0.85 ALDH1A1 (0.45) CYP2D6CYP2C19KDM4ELMNACCR1
SCHEMBL982324 0.85 KDM4E (0.44) CYP2D6CYP2C19KDM4ELMNACCR1
SCHEMBL31568294 0.83
SCHEMBL13511252 0.83 CYP2D6 (0.42) CYP2D6CYP2C19KDM4ELMNACCR1
SCHEMBL10144439 0.83 HDAC6 (0.47) CYP2D6CYP2C19KDM4ELMNACCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117165057-A liquid 米利肯工业有限公司 2023-12-05 CN claimed
CN-116375936-A Preparation and application of allyl trimethyl silane-vinyl pyrrolidone-maleic anhydride terpolymer 广东方中高新材料有限公司 2023-07-04 CN claimed
CN-116355614-A Etching composition 安集微电子科技(上海)股份有限公司 2023-06-30 CN claimed
CN-110073038-B Apparatus and method for controlled electrochemical surface modification 制造系统有限公司 2023-04-18 CN claimed
CN-115210339-A Etching solution for titanium nitride and molybdenum conductive metal wires 弗萨姆材料美国有限责任公司 2022-10-18 CN claimed
EP-2744771-B1 C-HALOGEN BOND FORMATION UNIV PRINCETON (US) 2020-10-21 EP claimed
US-20200190012-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-06-18 US claimed
WO-2016066638-A1 METAL BIOSENSORS BASED ON COMPOUNDS WITH METAL-SENSITIVE CHEMICAL SHIFTS FOR MAGNETIC RESONANCE SPECTROSCOPY AND IMAGING AND THEIR USES KLINIKUM RECHTS DER ISAR DER TECHNISCHEN UNIVERSITÄT MÜNCHEN (DE) 2016-05-06 WO claimed
EP-3015855-A1 Metal biosensors based on compounds with metal-sensitive chemical shifts for magnetic resonance spectroscopy and imaging Klinikum rechts der Isar der Technischen Universität München (DE) 2016-05-04 EP claimed
US-20140227184-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2014-08-14 US claimed
EP-2744771-A1 C-HALOGEN BOND FORMATION The Trustees of Princeton University (US) 2014-06-25 EP claimed
WO-2013028639-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-02-28 WO claimed
EP-1531193-A2 Method for deoyxgenating water Henkel Kommanditgesellschaft auf Aktien (DE) 2005-05-18 EP claimed
CN-119119497-B Dithiine functionalized metal-organic framework photo-thermal material, free radical metal-organic framework photo-thermal material, and preparation methods and applications thereof 广东工业大学 2025-05-20 CN disclosed
CN-119119497-B Dithiine functionalized metal-organic framework photo-thermal material, free radical metal-organic framework photo-thermal material, and preparation methods and applications thereof 广东工业大学 2025-05-20 CN disclosed
CN-119119497-A Dithiine functionalized metal-organic framework photo-thermal material, free radical metal-organic framework photo-thermal material, and preparation methods and applications thereof 广东工业大学 2024-12-13 CN disclosed
US-20020035029-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2002-03-21 US disclosed
US-6337297-B1 CHROMIUM CATALYST FOR TRIMERIZATION OF ETHYLENE WITH MULTIDENTATE LIGAND OR HALOGEN, CARBOXY GROUP TOSOH CORPORATION (JP) 2002-01-08 US disclosed
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 US disclosed
US-4046569-A PHYSICAL DEVELOPMENT OF PD(II) PHOTOSENSITIVE COMPLEXES WITH A LEUCOPHTHALOCYANINE DYE AND A REDUCING AGENT THEREFOR EASTMAN KODAK COMPANY (US) 1977-09-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200190012-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 CYP2D6 1756/4885CYP2C19 2559/4885KDM4E 4493/4885
US-20140227184-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 CYP2D6 1756/4885CYP2C19 2559/4885KDM4E 4493/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.